(5S)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

C18H24N4OS — CID 97384997

IUPAC(5S)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCc1nc(CN2CCOC[C@@]3(CCN(c4ccccn4)C3)C2)cs1
InChIInChI=1S/C18H24N4OS/c1-15-20-16(11-24-15)10-21-8-9-23-14-18(12-21)5-7-22(13-18)17-4-2-3-6-19-17/h2-4,6,11H,5,7-10,12-14H2,1H3/t18-/m0/s1
InChIKeyWJHCOUXHBTZPGC-SFHVURJKSA-N
MW344.48 g/mol
LogP2.58
Rot. Bonds3

About (5S)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

(5S)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 97384997) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is (5S)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name(5S)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID97384997
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name(5S)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCc1nc(CN2CCOC[C@@]3(CCN(c4ccccn4)C3)C2)cs1
InChIInChI=1S/C18H24N4OS/c1-15-20-16(11-24-15)10-21-8-9-23-14-18(12-21)5-7-22(13-18)17-4-2-3-6-19-17/h2-4,6,11H,5,7-10,12-14H2,1H3/t18-/m0/s1
InChIKeyWJHCOUXHBTZPGC-SFHVURJKSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of (5S)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (CID 97384997) is (5S)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for (5S)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for (5S)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is Cc1nc(CN2CCOC[C@@]3(CCN(c4ccccn4)C3)C2)cs1.
What is the InChIKey of (5S)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is WJHCOUXHBTZPGC-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-15-20-16(11-24-15)10-21-8-9-23-14-18(12-21)5-7-22(13-18)17-4-2-3-6-19-17/h2-4,6,11H,5,7-10,12-14H2,1H3/t18-/m0/s1.
What are the key properties of (5S)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
(5S)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 344.48 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 97384997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).